UCSF

ZINC43248263

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.26 -2.42 -45.64 5 4 1 71 245.368 7
Hi High (pH 8-9.5) -0.26 -1.49 -28.68 5 4 1 71 245.368 7
Hi High (pH 8-9.5) -0.26 -2.85 -5.14 4 4 0 70 244.36 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )